2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide

C17H25N3O2 — CID 119547727

IUPAC2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide
SMILESCC(=O)NC(C(=O)NCCc1ccc(N)cc1)C1CCCC1
InChIInChI=1S/C17H25N3O2/c1-12(21)20-16(14-4-2-3-5-14)17(22)19-11-10-13-6-8-15(18)9-7-13/h6-9,14,16H,2-5,10-11,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyTXECPKDUUOJEND-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.62
Rot. Bonds6

About 2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide

2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide (PubChem CID 119547727) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide
PubChem CID119547727
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide
SMILESCC(=O)NC(C(=O)NCCc1ccc(N)cc1)C1CCCC1
InChIInChI=1S/C17H25N3O2/c1-12(21)20-16(14-4-2-3-5-14)17(22)19-11-10-13-6-8-15(18)9-7-13/h6-9,14,16H,2-5,10-11,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyTXECPKDUUOJEND-UHFFFAOYSA-N
XLogP1.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 51271986
N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride
CID 119547626
2-acetamido-2-cyclopentyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 134026215
2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 51123302
(2R)-2-acetamido-2-cyclopentyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 52511671
(2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 95141300
2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylacetamide
CID 51271886
2-acetamido-2-cyclopentyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119430086
N-[2-(4-aminophenyl)ethyl]cyclohexanecarboxamide;hydrochloride
CID 119260663
2-acetamido-N-[2-(cycloheptylamino)ethyl]-2-cyclopentylacetamide;hydrochloride
CID 119619470
3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide
CID 115341674
(2S)-2-acetamido-2-cyclopentyl-N-[(2-fluorophenyl)methyl]acetamide
CID 27147840

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide?
The IUPAC name of 2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide (CID 119547727) is 2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide.
What is the SMILES notation for 2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide?
The canonical SMILES for 2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide is CC(=O)NC(C(=O)NCCc1ccc(N)cc1)C1CCCC1.
What is the InChIKey of 2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide?
The InChIKey is TXECPKDUUOJEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(21)20-16(14-4-2-3-5-14)17(22)19-11-10-13-6-8-15(18)9-7-13/h6-9,14,16H,2-5,10-11,18H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide?
2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide has a molecular weight of 303.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(4-aminophenyl)ethyl]-2-cyclopentylacetamide is sourced from PubChem (CID 119547727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).